1-(4-chloro-3-methoxyphenyl)-3-(cyclopropylamino)pyrrolidin-2-one

C14H17ClN2O2 — CID 107623351

IUPAC1-(4-chloro-3-methoxyphenyl)-3-(cyclopropylamino)pyrrolidin-2-one
SMILESCOc1cc(N2CCC(NC3CC3)C2=O)ccc1Cl
InChIInChI=1S/C14H17ClN2O2/c1-19-13-8-10(4-5-11(13)15)17-7-6-12(14(17)18)16-9-2-3-9/h4-5,8-9,12,16H,2-3,6-7H2,1H3
InChIKeyXUAPHIRIUMMRMN-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.21
Rot. Bonds4

About 1-(4-chloro-3-methoxyphenyl)-3-(cyclopropylamino)pyrrolidin-2-one

1-(4-chloro-3-methoxyphenyl)-3-(cyclopropylamino)pyrrolidin-2-one (PubChem CID 107623351) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-3-(cyclopropylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-3-(cyclopropylamino)pyrrolidin-2-one
PubChem CID107623351
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name1-(4-chloro-3-methoxyphenyl)-3-(cyclopropylamino)pyrrolidin-2-one
SMILESCOc1cc(N2CCC(NC3CC3)C2=O)ccc1Cl
InChIInChI=1S/C14H17ClN2O2/c1-19-13-8-10(4-5-11(13)15)17-7-6-12(14(17)18)16-9-2-3-9/h4-5,8-9,12,16H,2-3,6-7H2,1H3
InChIKeyXUAPHIRIUMMRMN-UHFFFAOYSA-N
XLogP2.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-fluorophenyl)-3-(oxan-4-ylamino)pyrrolidin-2-one
CID 75441668
2-methylpropyl 4-[[1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]amino]piperidine-1-carboxylate
CID 86784110
1-(3,4-dichlorophenyl)-3-(methylamino)pyrrolidin-2-one
CID 54353900
3-(cyclopropylamino)-1-[3-(dimethylamino)-4-methylphenyl]pyrrolidin-2-one
CID 115379182
1-(4-chloro-3-methoxyphenyl)pyrrolidine-2,3-dione
CID 107622002
1-(3,4-dichlorophenyl)-3-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]pyrrolidin-2-one
CID 133439004
1-(4-chloro-3-methoxyphenyl)-N-methylpyrrolidin-3-amine
CID 107622018
1-(4-chloro-3-methoxyphenyl)-1,3-diazinan-2-one
CID 107623725
1-(3-bromo-5-methoxyphenyl)-3-(cyclopropylamino)piperidin-2-one
CID 82859484
3-(cyclopropylamino)-1-(3,5-dichloro-4-fluorophenyl)piperidin-2-one
CID 107579720
1-(4-chloro-3-methoxyphenyl)-3-propylpiperazine-2,5-dione
CID 107623446
3-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 71838569

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-3-(cyclopropylamino)pyrrolidin-2-one?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-3-(cyclopropylamino)pyrrolidin-2-one (CID 107623351) is 1-(4-chloro-3-methoxyphenyl)-3-(cyclopropylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-3-(cyclopropylamino)pyrrolidin-2-one?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-3-(cyclopropylamino)pyrrolidin-2-one is COc1cc(N2CCC(NC3CC3)C2=O)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-3-(cyclopropylamino)pyrrolidin-2-one?
The InChIKey is XUAPHIRIUMMRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-19-13-8-10(4-5-11(13)15)17-7-6-12(14(17)18)16-9-2-3-9/h4-5,8-9,12,16H,2-3,6-7H2,1H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-3-(cyclopropylamino)pyrrolidin-2-one?
1-(4-chloro-3-methoxyphenyl)-3-(cyclopropylamino)pyrrolidin-2-one has a molecular weight of 280.75 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-3-(cyclopropylamino)pyrrolidin-2-one is sourced from PubChem (CID 107623351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).